1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene

C149H200O28 — CID 158693710

IUPAC1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene
SMILES[2H]OC([2H])(C([2H])([2H])CC([2H])([2H])C([2H])([2H])c1c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c1[2H])C([2H])([2H])Oc1c([2H])c([2H])c([2H])c(C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC)c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC)c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c([2H])c(C)c1C.[2H]c1c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c([2H])c(C)c1C
InChIInChI=1S/2C22H30O4.5C21H28O4/c2*1-16-9-11-20(13-17(16)2)26-15-19(23)8-6-5-7-18-10-12-21(24-3)22(14-18)25-4;5*1-16-7-6-10-19(13-16)25-15-18(22)9-5-4-8-17-11-12-20(23-2)21(14-17)24-3/h2*9-14,19,23H,5-8,15H2,1-4H3;5*6-7,10-14,18,22H,4-5,8-9,15H2,1-3H3/i3D3,4D3,5D2,7D2,8D2,9D,10D,11D,12D,13D,14D,15D2,19D;3D3,5D2,7D2,8D2,9D,10D,11D,12D,13D,14D,15D2,19D;2D3,3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D,22D;2D3,3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;2D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D
InChIKeyIGRAOZYPVJZNNX-YRJSOQIXSA-N
MW2578.05 g/mol
LogP29.77
Rot. Bonds80

About 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene

1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene (PubChem CID 158693710) has the molecular formula C149H200O28 and a molecular weight of 2578.05 g/mol. Its IUPAC name is 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene.

Molecular Properties

Compound Name1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene
PubChem CID158693710
Molecular FormulaC149H200O28
Molecular Weight2578.05 g/mol
Exact Mass2576.29
IUPAC Name1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene
SMILES[2H]OC([2H])(C([2H])([2H])CC([2H])([2H])C([2H])([2H])c1c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c1[2H])C([2H])([2H])Oc1c([2H])c([2H])c([2H])c(C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC)c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC)c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c([2H])c(C)c1C.[2H]c1c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c([2H])c(C)c1C
InChIInChI=1S/2C22H30O4.5C21H28O4/c2*1-16-9-11-20(13-17(16)2)26-15-19(23)8-6-5-7-18-10-12-21(24-3)22(14-18)25-4;5*1-16-7-6-10-19(13-16)25-15-18(22)9-5-4-8-17-11-12-20(23-2)21(14-17)24-3/h2*9-14,19,23H,5-8,15H2,1-4H3;5*6-7,10-14,18,22H,4-5,8-9,15H2,1-3H3/i3D3,4D3,5D2,7D2,8D2,9D,10D,11D,12D,13D,14D,15D2,19D;3D3,5D2,7D2,8D2,9D,10D,11D,12D,13D,14D,15D2,19D;2D3,3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D,22D;2D3,3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;2D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D
InChIKeyIGRAOZYPVJZNNX-YRJSOQIXSA-N
XLogP29.77
TPSA335.44 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds80
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.05
LogP ≤ 529.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene with MolForge

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Launch Full Analysis

Related Compounds

1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene
CID 158257947
1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,3,3,5,5-hexadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,3,3,5,5-hexadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol
CID 160931778
1,1,2,3,3,5,5,6,6-nonadeuterio-6-[3-methoxy-4-(trideuteriomethoxy)phenyl]-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)hexan-2-ol
CID 158553136
5,5,6,6-tetradeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol
CID 158553099
1,1,2,3,3,5,5,6,6-nonadeuterio-6-(3,4-dimethoxyphenyl)-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol
CID 158553138
6,6-dideuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol
CID 158553104
2,5,5-trideuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol
CID 160931787
6-[3,4-bis(trideuteriomethoxy)phenyl]-1,1,2,3,3,5,5,6,6-nonadeuterio-1-(3-methylphenoxy)hexan-2-ol;6-[3,4-bis(trideuteriomethoxy)phenyl]-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)hexan-2-ol;6-[3,4-bis(trideuteriomethoxy)phenyl]-5,5,6,6-tetradeuterio-1-(3-methylphenoxy)hexan-2-ol;6-[3-methoxy-4-(trideuteriomethoxy)phenyl]-1-(3-methylphenoxy)hexan-2-ol;6-[4-methoxy-3-(trideuteriomethoxy)phenyl]-1-(3-methylphenoxy)hexan-2-ol;1,1,2,3,3-pentadeuterio-6-(3,4-dimethoxyphenyl)-1-[3-(trideuteriomethyl)phenoxy]hexan-2-ol
CID 161409035
6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol
CID 158257954
6-[3,4-bis(trideuteriomethoxy)phenyl]-2,3,3,5,5,6,6-heptadeuterio-1-(3-methylphenoxy)hexan-2-ol
CID 161010907
3,3,5,5,6,6-hexadeuterio-6-[4-methoxy-3-(trideuteriomethoxy)phenyl]-1-(3-methylphenoxy)hexan-2-ol
CID 158056743
2,5,5,6,6-pentadeuterio-6-[3-methoxy-4-(trideuteriomethoxy)phenyl]-1-(3-methylphenoxy)hexan-2-ol
CID 161010945

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene?
The IUPAC name of 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene (CID 158693710) is 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene.
What is the SMILES notation for 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene?
The canonical SMILES for 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene is [2H]OC([2H])(C([2H])([2H])CC([2H])([2H])C([2H])([2H])c1c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c1[2H])C([2H])([2H])Oc1c([2H])c([2H])c([2H])c(C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC)c(OC([2H])([2H])[2H])c2[2H])c1[2H].[2H]c1c([2H])c(C)c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC)c(OC)c2[2H])c1[2H].[2H]c1c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC([2H])([2H])[2H])c2[2H])c([2H])c(C)c1C.[2H]c1c([2H])c(OC([2H])([2H])C([2H])(O)C([2H])([2H])CC([2H])([2H])C([2H])([2H])c2c([2H])c([2H])c(OC([2H])([2H])[2H])c(OC)c2[2H])c([2H])c(C)c1C.
What is the InChIKey of 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene?
The InChIKey is IGRAOZYPVJZNNX-YRJSOQIXSA-N. The full InChI is InChI=1S/2C22H30O4.5C21H28O4/c2*1-16-9-11-20(13-17(16)2)26-15-19(23)8-6-5-7-18-10-12-21(24-3)22(14-18)25-4;5*1-16-7-6-10-19(13-16)25-15-18(22)9-5-4-8-17-11-12-20(23-2)21(14-17)24-3/h2*9-14,19,23H,5-8,15H2,1-4H3;5*6-7,10-14,18,22H,4-5,8-9,15H2,1-3H3/i3D3,4D3,5D2,7D2,8D2,9D,10D,11D,12D,13D,14D,15D2,19D;3D3,5D2,7D2,8D2,9D,10D,11D,12D,13D,14D,15D2,19D;2D3,3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D,22D;2D3,3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;3D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;2D3,4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D;4D2,6D,7D,8D2,9D2,10D,11D,12D,13D,14D,15D2,18D.
What are the key properties of 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene?
1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene has a molecular weight of 2578.05 g/mol, XLogP of 29.77, 80 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-(2,3,6-trideuterio-4,5-dimethoxyphenyl)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-4-methoxy-5-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,4,6-tetradeuterio-5-methylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)hexan-2-ol;1,1,2,3,3,5,5,6,6-nonadeuterio-1-(2,3,6-trideuterio-4,5-dimethylphenoxy)-6-[2,3,6-trideuterio-5-methoxy-4-(trideuteriomethoxy)phenyl]hexan-2-ol;1,2,3,5-tetradeuterio-4-methyl-6-[1,1,2,3,3,5,5,6,6-nonadeuterio-2-deuteriooxy-6-[2,3,6-trideuterio-4,5-bis(trideuteriomethoxy)phenyl]hexoxy]benzene is sourced from PubChem (CID 158693710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).